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              This document summarizes my research activities since 2005 about the development of methods for computing the electronic structure of molecular systems and organized into two themes: (1) Quantum Monte Carlo (QMC) methods: I developed several aspects of QMC methods in order to be able to do reference calculations in quantum chemistry (wave-function optimization method for ground and excited states, new forms of explicitly correlated wave functions, and improved statistical estimators for observables); (2) Density-functional theory (DFT): In order to improve the accuracy of present-day DFT, I developed several methods which rigorously combine DFT with correlated wave-function calculations by using a decomposition of the electron-electron interaction (range-separated hybrids, "double-hybrid" approximations, and multiconfigurational hybrids).
            """ ;
    dct:identifier "tel-00851489" ;
    dct:issued "2026-05-10T02:49:22.212313"^^xsd:dateTime ;
    dct:language "fr" ;
    dct:modified "2026-05-10T02:49:22.212322"^^xsd:dateTime ;
    dct:publisher <https://rec.harvest-normandie.data4citizen.com/organization/cce9db95-46d9-4dc2-84b6-764215d0a002> ;
    dct:title "Methodological developments in quantum chemistry: Quantum Monte Carlo methods and density-functional theory" ;
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        "density-functional-theory",
        "electronic-structure",
        "habilitation-a-diriger-des-recherches",
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        "quantum-chemistry",
        "quantum-monte-carlo",
        "structure-electronique",
        "theorie-de-la-fonctionnelle-de-la-densite" ;
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    dct:issued "2026-05-10T02:49:22.223382"^^xsd:dateTime ;
    dct:modified "2026-05-10T02:49:22.192115"^^xsd:dateTime ;
    dct:title "Methodological developments in quantum chemistry: Quantum Monte Carlo methods and density-functional theory" ;
    dcat:accessURL <https://theses.hal.science/tel-00851489> .

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